fluoro 4-(diazenylmethyl)benzoate

C8H7FN2O2 — CID 174578572

IUPACfluoro 4-(diazenylmethyl)benzoate
SMILES[H]/N=N/Cc1ccc(C(=O)OF)cc1
InChIInChI=1S/C8H7FN2O2/c9-13-8(12)7-3-1-6(2-4-7)5-11-10/h1-4,10H,5H2/b11-10+
InChIKeyCLKOMFFWXCPXFN-ZHACJKMWSA-N
MW182.15 g/mol
LogP2.26
Rot. Bonds3

About fluoro 4-(diazenylmethyl)benzoate

fluoro 4-(diazenylmethyl)benzoate (PubChem CID 174578572) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is fluoro 4-(diazenylmethyl)benzoate.

Molecular Properties

Compound Namefluoro 4-(diazenylmethyl)benzoate
PubChem CID174578572
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Namefluoro 4-(diazenylmethyl)benzoate
SMILES[H]/N=N/Cc1ccc(C(=O)OF)cc1
InChIInChI=1S/C8H7FN2O2/c9-13-8(12)7-3-1-6(2-4-7)5-11-10/h1-4,10H,5H2/b11-10+
InChIKeyCLKOMFFWXCPXFN-ZHACJKMWSA-N
XLogP2.26
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze fluoro 4-(diazenylmethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

fluoro 4-prop-2-enylbenzoate
CID 20652812
(4-ethylphenyl)methyldiazene
CID 57248399
fluoro 4-aminosulfanylbenzoate
CID 145294745
fluoro 4-propan-2-yloxybenzoate
CID 174701102
fluoro 3,4-diaminobenzoate
CID 142205723
methyl 4-[(diaminomethylideneamino)methyl]benzoate;dihydrate
CID 66622428
methyl 4-[[4-[[(4-methoxycarbonylphenyl)methylideneamino]methyl]phenyl]methyliminomethyl]benzoate
CID 134959377
[4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate
CID 19792326
fluoro 3-chloro-4-ethylbenzoate
CID 175246982
fluoro 4-amino-3-hydroxybenzoate
CID 144796447
chloro 4-(hydroxymethyl)benzoate
CID 174742184
phenyl 4-[(diaminomethylideneamino)methyl]benzoate;hydrochloride
CID 45261060

Frequently Asked Questions

What is the IUPAC name of fluoro 4-(diazenylmethyl)benzoate?
The IUPAC name of fluoro 4-(diazenylmethyl)benzoate (CID 174578572) is fluoro 4-(diazenylmethyl)benzoate.
What is the SMILES notation for fluoro 4-(diazenylmethyl)benzoate?
The canonical SMILES for fluoro 4-(diazenylmethyl)benzoate is [H]/N=N/Cc1ccc(C(=O)OF)cc1.
What is the InChIKey of fluoro 4-(diazenylmethyl)benzoate?
The InChIKey is CLKOMFFWXCPXFN-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H7FN2O2/c9-13-8(12)7-3-1-6(2-4-7)5-11-10/h1-4,10H,5H2/b11-10+.
What are the key properties of fluoro 4-(diazenylmethyl)benzoate?
fluoro 4-(diazenylmethyl)benzoate has a molecular weight of 182.15 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-(diazenylmethyl)benzoate is sourced from PubChem (CID 174578572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).